General Information of the Compound
| Compound ID |
CP0355437
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| Compound Name |
8-benzyl-6-(2,6-dichlorophenyl)-2-[4-[2-(diethylamino)ethoxy]anilino]pyrido[2,3-d]pyrimidin-7-one
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| Structure |
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| Formula |
C32H31Cl2N5O2
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| Molecular Weight |
588.539
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| Canonical SMILES |
CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(Cc4ccccc4)c3n2)cc1
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| InChI |
InChI=1S/C32H31Cl2N5O2/c1-3-38(4-2)17-18-41-25-15-13-24(14-16-25)36-32-35-20-23-19-26(29-27(33)11-8-12-28(29)34)31(40)39(30(23)37-32)21-22-9-6-5-7-10-22/h5-16,19-20H,3-4,17-18,21H2,1-2H3,(H,35,36,37)
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| InChIKey |
KWZMLARYZJWIGD-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound